20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.1
C                0.9000      1.5269      0.0362
H                0.6907      2.4426      0.5870
C                0.3019      1.2094     -1.2610
H               -0.3988      1.8645     -1.7765
C                0.7377     -0.0102     -1.6594
H                0.4773     -0.5427     -2.5726
C                1.6953      0.4979      0.4172
H                2.2780      0.4128      1.3329
C               -1.0524     -1.1537      0.0073
H               -0.7085     -1.8348     -0.7718
C               -0.5009     -0.8629      1.2015
H                0.4136     -1.2429      1.6579
C                1.7816     -0.5085     -0.6976
H                2.7838     -0.4773     -1.1673
H                1.6219     -1.5506     -0.3690
C               -1.4402      0.0674      1.9176
C               -2.3610     -0.4182     -0.0762
O               -3.2297     -0.3356     -0.9015
O               -1.4333      0.6116      2.9882
O               -2.5569      0.3043      1.1069
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.2
C                0.8760      1.5206      0.0497
H                0.6687      2.4366      0.6010
C                0.2773      1.2043     -1.2466
H               -0.4226      1.8601     -1.7624
C                0.7071     -0.0193     -1.6421
H                0.4440     -0.5515     -2.5549
C                1.6656      0.4871      0.4328
H                2.2475      0.4013      1.3491
C               -1.0258     -1.1537     -0.0051
H               -0.6982     -1.8585     -0.7701
C               -0.4742     -0.8611      1.1900
H                0.4235     -1.2635      1.6605
C                1.7622     -0.5114     -0.6888
H                2.7614     -0.4579     -1.1635
H                1.6248     -1.5594     -0.3695
C               -1.4055      0.0846      1.8964
C               -2.3256     -0.4036     -0.0971
O               -3.1920     -0.3176     -0.9247
O               -1.3970      0.6349      2.9642
O               -2.5172      0.3281      1.0810
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.3
C                0.8543      1.5153      0.0614
H                0.6497      2.4319      0.6127
C                0.2553      1.1998     -1.2338
H               -0.4430      1.8564     -1.7507
C                0.6776     -0.0289     -1.6252
H                0.4121     -0.5608     -2.5375
C                1.6366      0.4761      0.4480
H                2.2174      0.3900      1.3651
C               -0.9999     -1.1514     -0.0182
H               -0.6895     -1.8800     -0.7680
C               -0.4479     -0.8573      1.1783
H                0.4315     -1.2832      1.6628
C                1.7441     -0.5143     -0.6804
H                2.7398     -0.4382     -1.1596
H                1.6294     -1.5676     -0.3705
C               -1.3729      0.1003      1.8770
C               -2.2926     -0.3899     -0.1164
O               -3.1578     -0.3017     -0.9452
O               -1.3639      0.6544      2.9428
O               -2.4805      0.3492      1.0576
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.4
C                0.8341      1.5110      0.0707
H                0.6333      2.4292      0.6209
C                0.2357      1.1958     -1.2230
H               -0.4599      1.8533     -1.7425
C                0.6493     -0.0394     -1.6084
H                0.3821     -0.5709     -2.5207
C                1.6073      0.4653      0.4629
H                2.1870      0.3799      1.3809
C               -0.9748     -1.1472     -0.0320
H               -0.6834     -1.9001     -0.7654
C               -0.4220     -0.8528      1.1665
H                0.4376     -1.3031      1.6645
C                1.7271     -0.5172     -0.6718
H                2.7192     -0.4172     -1.1550
H                1.6363     -1.5754     -0.3718
C               -1.3420      0.1134      1.8597
C               -2.2616     -0.3764     -0.1341
O               -3.1262     -0.2855     -0.9634
O               -1.3330      0.6697      2.9246
O               -2.4463      0.3675      1.0374
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.5
C                0.8174      1.5084      0.0772
H                0.6217      2.4290      0.6254
C                0.2205      1.1931     -1.2148
H               -0.4708      1.8521     -1.7385
C                0.6231     -0.0502     -1.5924
H                0.3546     -0.5813     -2.5048
C                1.5793      0.4547      0.4772
H                2.1574      0.3708      1.3966
C               -0.9507     -1.1395     -0.0469
H               -0.6783     -1.9153     -0.7640
C               -0.3964     -0.8453      1.1540
H                0.4425     -1.3204      1.6646
C                1.7116     -0.5206     -0.6633
H                2.6998     -0.3981     -1.1498
H                1.6432     -1.5830     -0.3724
C               -1.3146      0.1239      1.8451
C               -2.2349     -0.3647     -0.1489
O               -3.1007     -0.2728     -0.9772
O               -1.3064      0.6798      2.9104
O               -2.4182      0.3794      1.0226
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.6
C                0.8024      1.5066      0.0821
H                0.6128      2.4299      0.6284
C                0.2073      1.1917     -1.2071
H               -0.4790      1.8521     -1.7359
C                0.5971     -0.0613     -1.5762
H                0.3281     -0.5907     -2.4897
C                1.5515      0.4437      0.4911
H                2.1290      0.3623      1.4113
C               -0.9271     -1.1312     -0.0622
H               -0.6758     -1.9320     -0.7596
C               -0.3711     -0.8368      1.1421
H                0.4439     -1.3393      1.6658
C                1.6976     -0.5234     -0.6558
H                2.6813     -0.3778     -1.1455
H                1.6521     -1.5895     -0.3744
C               -1.2889      0.1333      1.8316
C               -2.2097     -0.3543     -0.1629
O               -3.0774     -0.2619     -0.9895
O               -1.2826      0.6885      2.8976
O               -2.3917      0.3901      1.0086
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.7
C                0.7898      1.5064      0.0845
H                0.6076      2.4325      0.6289
C                0.1971      1.1921     -1.2005
H               -0.4829      1.8542     -1.7357
C                0.5717     -0.0727     -1.5599
H                0.3027     -0.5992     -2.4753
C                1.5239      0.4323      0.5045
H                2.1020      0.3548      1.4250
C               -0.9043     -1.1219     -0.0779
H               -0.6764     -1.9502     -0.7516
C               -0.3460     -0.8271      1.1310
H                0.4411     -1.3599      1.6680
C                1.6855     -0.5256     -0.6494
H                2.6641     -0.3561     -1.1421
H                1.6633     -1.5948     -0.3776
C               -1.2656      0.1409      1.8199
C               -2.1868     -0.3454     -0.1755
O               -3.0566     -0.2525     -1.0001
O               -1.2622      0.6946      2.8870
O               -2.3682      0.3977      0.9968
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.8
C                0.7804      1.5085      0.0840
H                0.6088      2.4376      0.6268
C                0.1908      1.1958     -1.1942
H               -0.4816      1.8592     -1.7374
C                0.5473     -0.0838     -1.5434
H                0.2803     -0.6049     -2.4628
C                1.4976      0.4202      0.5173
H                2.0785      0.3489      1.4369
C               -0.8825     -1.1115     -0.0950
H               -0.6814     -1.9705     -0.7389
C               -0.3211     -0.8153      1.1206
H                0.4316     -1.3834      1.6717
C                1.6761     -0.5267     -0.6445
H                2.6488     -0.3345     -1.1401
H                1.6758     -1.5984     -0.3823
C               -1.2455      0.1468      1.8097
C               -2.1674     -0.3397     -0.1862
O               -3.0412     -0.2484     -1.0073
O               -1.2463      0.6991      2.8780
O               -2.3491      0.4010      0.9874
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.9
C                0.7737      1.5135      0.0791
H                0.6175      2.4463      0.6209
C                0.1890      1.2037     -1.1879
H               -0.4734      1.8684     -1.7427
C                0.5235     -0.0960     -1.5263
H                0.2621     -0.6070     -2.4534
C                1.4720      0.4068      0.5296
H                2.0608      0.3463      1.4452
C               -0.8628     -1.1010     -0.1133
H               -0.6946     -1.9972     -0.7160
C               -0.2965     -0.8018      1.1128
H                0.4104     -1.4138      1.6788
C                1.6708     -0.5260     -0.6423
H                2.6363     -0.3086     -1.1410
H                1.6934     -1.5997     -0.3901
C               -1.2294      0.1500      1.8020
C               -2.1519     -0.3375     -0.1949
O               -3.0302     -0.2469     -1.0121
O               -1.2360      0.7014      2.8711
O               -2.3347      0.3991      0.9807
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.10
C                0.7700      1.5254      0.0658
H                0.6399      2.4627      0.6070
C                0.1942      1.2205     -1.1820
H               -0.4510      1.8851     -1.7568
C                0.5003     -0.1108     -1.5084
H                0.2545     -0.6019     -2.4506
C                1.4463      0.3902      0.5414
H                2.0533      0.3506      1.4467
C               -0.8474     -1.0919     -0.1348
H               -0.7256     -2.0365     -0.6727
C               -0.2724     -0.7877      1.1108
H                0.3664     -1.4586      1.6923
C                1.6729     -0.5207     -0.6450
H                2.6294     -0.2746     -1.1466
H                1.7201     -1.5962     -0.4039
C               -1.2200      0.1470      1.7995
C               -2.1427     -0.3411     -0.1996
O               -3.0263     -0.2487     -1.0116
O               -1.2351      0.6986      2.8691
O               -2.3270      0.3887      0.9794
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.11
C                0.7691      1.5422      0.0478
H                0.6790      2.4855      0.5864
C                0.2036      1.2431     -1.1770
H               -0.4143      1.9073     -1.7811
C                0.4783     -0.1297     -1.4900
H                0.2593     -0.5915     -2.4538
C                1.4221      0.3695      0.5541
H                2.0576      0.3596      1.4410
C               -0.8371     -1.0839     -0.1599
H               -0.7686     -2.0765     -0.6168
C               -0.2488     -0.7723      1.1148
H                0.3039     -1.5084      1.7075
C                1.6816     -0.5121     -0.6512
H                2.6268     -0.2341     -1.1556
H                1.7560     -1.5889     -0.4227
C               -1.2185      0.1389      1.8022
C               -2.1424     -0.3505     -0.1993
O               -3.0338     -0.2568     -1.0032
O               -1.2452      0.6909      2.8719
O               -2.3287      0.3677      0.9849
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1.12
C                0.7662      1.5505      0.0394
H                0.7097      2.4993      0.5723
C                0.2063      1.2545     -1.1731
H               -0.3861      1.9198     -1.8006
C                0.4569     -0.1477     -1.4732
H                0.2590     -0.5883     -2.4521
C                1.3988      0.3506      0.5670
H                2.0554      0.3619      1.4391
C               -0.8245     -1.0720     -0.1827
H               -0.7901     -2.0915     -0.5840
C               -0.2260     -0.7550      1.1139
H                0.2684     -1.5309      1.7099
C                1.6838     -0.5091     -0.6529
H                2.6192     -0.2053     -1.1590
H                1.7811     -1.5861     -0.4348
C               -1.2158      0.1349      1.8031
C               -2.1407     -0.3551     -0.2002
O               -3.0388     -0.2626     -0.9968
O               -1.2515      0.6845      2.8737
O               -2.3314      0.3477      0.9910
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride7
C                0.7612      1.5526      0.0368
H                0.7307      2.5056      0.5636
C                0.2045      1.2579     -1.1693
H               -0.3669      1.9246     -1.8141
C                0.4354     -0.1642     -1.4571
H                0.2532     -0.5902     -2.4464
C                1.3756      0.3334      0.5798
H                2.0474      0.3596      1.4409
C               -0.8094     -1.0576     -0.2030
H               -0.7974     -2.0934     -0.5659
C               -0.2037     -0.7371      1.1091
H                0.2511     -1.5386      1.7053
C                1.6812     -0.5094     -0.6516
H                2.6077     -0.1835     -1.1588
H                1.7986     -1.5861     -0.4427
C               -1.2102      0.1347      1.8016
C               -2.1356     -0.3551     -0.2032
O               -3.0390     -0.2653     -0.9939
O               -1.2534      0.6794      2.8742
O               -2.3309      0.3328      0.9947
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride6
C                0.7555      1.5517      0.0371
H                0.7473      2.5081      0.5581
C                0.2006      1.2580     -1.1650
H               -0.3522      1.9260     -1.8240
C                0.4135     -0.1796     -1.4413
H                0.2447     -0.5934     -2.4392
C                1.3523      0.3173      0.5925
H                2.0371      0.3555      1.4440
C               -0.7930     -1.0423     -0.2220
H               -0.7977     -2.0898     -0.5547
C               -0.1817     -0.7188      1.1022
H                0.2422     -1.5395      1.6978
C                1.6759     -0.5113     -0.6487
H                2.5941     -0.1662     -1.1569
H                1.8112     -1.5874     -0.4482
C               -1.2028      0.1365      1.7985
C               -2.1288     -0.3534     -0.2075
O               -3.0370     -0.2679     -0.9927
O               -1.2526      0.6762      2.8732
O               -2.3286      0.3203      0.9967
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride5
C                0.7495      1.5491      0.0389
H                0.7613      2.5081      0.5543
C                0.1958      1.2560     -1.1606
H               -0.3402      1.9252     -1.8318
C                0.3916     -0.1946     -1.4255
H                0.2351     -0.5974     -2.4311
C                1.3290      0.3015      0.6052
H                2.0257      0.3503      1.4479
C               -0.7761     -1.0263     -0.2404
H               -0.7946     -2.0833     -0.5470
C               -0.1600     -0.7002      1.0943
H                0.2374     -1.5371      1.6887
C                1.6695     -0.5140     -0.6451
H                2.5794     -0.1502     -1.1540
H                1.8221     -1.5892     -0.4529
C               -1.1947      0.1396      1.7946
C               -2.1211     -0.3507     -0.2124
O               -3.0341     -0.2704     -0.9923
O               -1.2505      0.6737      2.8715
O               -2.3250      0.3098      0.9975
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride4
C                0.7437      1.5455      0.0413
H                0.7743      2.5069      0.5511
C                0.1908      1.2530     -1.1563
H               -0.3290      1.9230     -1.8388
C                0.3694     -0.2091     -1.4098
H                0.2246     -0.6016     -2.4226
C                1.3054      0.2862      0.6179
H                2.0133      0.3450      1.4522
C               -0.7590     -1.0098     -0.2584
H               -0.7896     -2.0751     -0.5410
C               -0.1385     -0.6813      1.0859
H                0.2349     -1.5328      1.6785
C                1.6624     -0.5171     -0.6411
H                2.5640     -0.1353     -1.1505
H                1.8315     -1.5910     -0.4568
C               -1.1861      0.1431      1.7903
C               -2.1130     -0.3476     -0.2175
O               -3.0306     -0.2730     -0.9922
O               -1.2478      0.6709      2.8698
O               -2.3206      0.3001      0.9979
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride3
C                0.7381      1.5415      0.0439
H                0.7867      2.5047      0.5483
C                0.1859      1.2493     -1.1523
H               -0.3182      1.9198     -1.8456
C                0.3471     -0.2234     -1.3941
H                0.2138     -0.6060     -2.4138
C                1.2817      0.2713      0.6306
H                2.0004      0.3396      1.4568
C               -0.7420     -0.9929     -0.2764
H               -0.7834     -2.0656     -0.5363
C               -0.1171     -0.6622      1.0774
H                0.2340     -1.5271      1.6677
C                1.6549     -0.5204     -0.6368
H                2.5480     -0.1211     -1.1466
H                1.8401     -1.5928     -0.4602
C               -1.1774      0.1465      1.7862
C               -2.1048     -0.3443     -0.2227
O               -3.0267     -0.2749     -0.9924
O               -1.2447      0.6682      2.8681
O               -2.3162      0.2899      0.9984
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride2
C                0.7329      1.5373      0.0465
H                0.7991      2.5020      0.5455
C                0.1814      1.2452     -1.1486
H               -0.3074      1.9160     -1.8523
C                0.3247     -0.2374     -1.3784
H                0.2025     -0.6105     -2.4048
C                1.2578      0.2567      0.6433
H                1.9870      0.3345      1.4616
C               -0.7253     -0.9759     -0.2946
H               -0.7765     -2.0553     -0.5325
C               -0.0958     -0.6428      1.0690
H                0.2342     -1.5206      1.6563
C                1.6473     -0.5239     -0.6323
H                2.5318     -0.1075     -1.1423
H                1.8480     -1.5944     -0.4633
C               -1.1688      0.1497      1.7821
C               -2.0966     -0.3410     -0.2278
O               -3.0232     -0.2771     -0.9923
O               -1.2417      0.6648      2.8666
O               -2.3113      0.2800      0.9987
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride1
C                0.7289      1.5332      0.0490
H                0.8131      2.4990      0.5425
C                0.1776      1.2415     -1.1453
H               -0.2956      1.9123     -1.8591
C                0.3019     -0.2508     -1.3629
H                0.1906     -0.6145     -2.3957
C                1.2338      0.2424      0.6560
H                1.9735      0.3290      1.4664
C               -0.7089     -0.9584     -0.3131
H               -0.7686     -2.0440     -0.5295
C               -0.0746     -0.6227      1.0611
H                0.2351     -1.5128      1.6449
C                1.6396     -0.5274     -0.6280
H                2.5154     -0.0947     -1.1381
H                1.8550     -1.5960     -0.4664
C               -1.1608      0.1528      1.7782
C               -2.0890     -0.3386     -0.2327
O               -3.0202     -0.2810     -0.9918
O               -1.2398      0.6615      2.8653
O               -2.3070      0.2688      0.9992
20
cis-endo-5-norbornene-2,3-dicarboxylic anhydride
C                0.7261      1.5296      0.0507
H                0.8277      2.4961      0.5392
C                0.1752      1.2380     -1.1428
H               -0.2829      1.9084     -1.8666
C                0.2791     -0.2637     -1.3474
H                0.1783     -0.6182     -2.3865
C                1.2097      0.2288      0.6687
H                1.9593      0.3243      1.4716
C               -0.6931     -0.9404     -0.3323
H               -0.7603     -2.0319     -0.5274
C               -0.0534     -0.6018      1.0537
H                0.2369     -1.5041      1.6330
C                1.6322     -0.5313     -0.6237
H                2.4994     -0.0828     -1.1335
H                1.8612     -1.5977     -0.4688
C               -1.1533      0.1552      1.7750
C               -2.0821     -0.3365     -0.2372
O               -3.0183     -0.2855     -0.9904
O               -1.2387      0.6566      2.8648
O               -2.3028      0.2569      1.0002
20
cyclopentadiene+maleic_anhydride_endo_pm3.profile1
C                0.7240      1.5263      0.0521
H                0.8432      2.4932      0.5354
C                0.1733      1.2348     -1.1409
H               -0.2693      1.9043     -1.8747
C                0.2559     -0.2762     -1.3322
H                0.1659     -0.6218     -2.3774
C                1.1855      0.2158      0.6816
H                1.9450      0.3199      1.4767
C               -0.6782     -0.9224     -0.3525
H               -0.7516     -2.0193     -0.5262
C               -0.0320     -0.5804      1.0474
H                0.2396     -1.4946      1.6211
C                1.6249     -0.5352     -0.6193
H                2.4836     -0.0717     -1.1289
H                1.8666     -1.5994     -0.4709
C               -1.1462      0.1570      1.7722
C               -2.0758     -0.3349     -0.2414
O               -3.0173     -0.2904     -0.9884
O               -1.2386      0.6509      2.8649
O               -2.2987      0.2442      1.0015
